| ElaStic: A tool for calculating second-order elastic constants from first principles R Golesorkhtabar, P Pavone, J Spitaler, P Puschnig, C Draxl Computer Physics Communications 184 (8), 1861-1873, 2013 | 457 | 2013 |
| The elk FP-LAPW code K Dewhurst, S Sharma, L Nordstrom, F Cricchio, F Bultmark, H Gross, ... ELK, http://elk. sourceforge. net, 2016 | 52 | 2016 |
| Cu diffusion in single-crystal and polycrystalline TiN barrier layers: A high-resolution experimental study supported by first-principles calculations M Mühlbacher, AS Bochkarev, F Mendez-Martin, B Sartory, L Chitu, ... Journal of Applied Physics 118 (8), 085307, 2015 | 48 | 2015 |
| Response modeling of single SnO2 nanowire gas sensors MZ Asadzadeh, A Köck, M Popov, S Steinhauer, J Spitaler, L Romaner Sensors and Actuators B: Chemical 295, 22-29, 2019 | 36 | 2019 |
| Perspectives on the theory of defects J Spitaler, SK Estreicher Frontiers in Materials 5, 70, 2018 | 36 | 2018 |
| Thermal Characterization and Modelling of AlGaN-GaN Multilayer Structures for HEMT Applications L Mitterhuber, R Hammer, T Dengg, J Spitaler Energies 13 (9), 2363, 2020 | 26 | 2020 |
| Origin of Relaxor Behavior in Barium‐Titanate‐Based Lead‐Free Perovskites V Veerapandiyan, MN Popov, F Mayer, J Spitaler, S Svirskas, V Kalendra, ... Advanced Electronic Materials 8 (2), 2100812, 2022 | 25 | 2022 |
| TiO(100)/AlO(0001) interface: A first-principles study supported by experiment MN Popov, J Spitaler, M Mühlbacher, C Walter, J Keckes, C Mitterer, ... Physical Review B 86 (20), 205309, 2012 | 25 | 2012 |
| TiN diffusion barrier failure by the formation of Cu3Si investigated by electron microscopy and atom probe tomography M Mühlbacher, G Greczynski, B Sartory, F Mendez-Martin, N Schalk, J Lu, ... Journal of Vacuum Science & Technology B, Nanotechnology and …, 2016 | 22 | 2016 |
| Thermal expansion coefficient of WRe alloys from first principles T Dengg, V Razumovskiy, L Romaner, G Kresse, P Puschnig, J Spitaler Physical Review B 96 (3), 035148, 2017 | 21 | 2017 |
| Atomistic origins of the differences in anisotropic fracture behaviour of LiTaO3 and LiNbO3 single crystals M Gruber, R Konetschnik, M Popov, J Spitaler, P Supancic, D Kiener, ... Acta Materialia 150, 373-380, 2018 | 20 | 2018 |
| Point defects at the Σ5 (012)[100] grain boundary in TiN and the early stages of Cu diffusion: an ab initio study MN Popov, AS Bochkarev, VI Razumovskiy, P Puschnig, J Spitaler Acta Materialia 144, 496-504, 2018 | 20 | 2018 |
| Raman spectra of fine-grained materials from first principles MN Popov, J Spitaler, VK Veerapandiyan, E Bousquet, J Hlinka, M Deluca npj Computational Materials 6 (1), 1-7, 2020 | 18 | 2020 |
| Morphology of Fe2Al5 particles and the interface to WC coating in the context of hot-dip galvanizing: An ab initio study D Scheiber, W Essl, J Strutzenberger, F Goodwin, J Spitaler, G Reiss Journal of Alloys and Compounds 824, 153854, 2020 | 18 | 2020 |
| Ab initio study of Cu impurity diffusion in bulk TiN AS Bochkarev, MN Popov, VI Razumovskiy, J Spitaler, P Puschnig Physical Review B 94 (10), 104303, 2016 | 18 | 2016 |
| Optical properties, electron-phonon coupling, and Raman scattering of vanadium ladder compounds J Spitaler, EY Sherman, HG Evertz, C Ambrosch-Draxl Physical Review-Section B-Condensed Matter 70 (12), 125107-125107, 2004 | 18 | 2004 |
| Combined use of small-angle neutron scattering and atom probe tomography for the analysis of precipitates in a Fe-15 m% Co-25 m% Mo alloy E Eidenberger, E Stergar, H Leitner, P Staron, J Spitaler, ... Applied Physics A 97 (2), 331-340, 2009 | 17 | 2009 |
| Energies and structures of Cu/Nb and Cu/W interfaces from density functional theory and semi-empirical calculations R Bodlos, V Fotopoulos, J Spitaler, AL Shluger, L Romaner Materialia 21, 101362, 2022 | 16 | 2022 |
| Bonding and physical properties of the scheelite-type materials AgReO4 and NaReO4 J Spitaler, C Ambrosch-Draxl, E Nachbaur, F Belaj, H Gomm, F Netzer Physical Review-Section B-Condensed Matter 67 (11), 115127-115127, 2003 | 16 | 2003 |
| ATAT@ WIEN2k: An interface for cluster expansion based on the linearized augmented planewave method M Chakraborty, J Spitaler, P Puschnig, C Ambrosch-Draxl Computer Physics Communications 181 (5), 913-920, 2010 | 15 | 2010 |
